3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide

C9H17N3O4 — CID 142305680

IUPAC3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide
SMILESCC(=O)NCCN(CCO)CCC(=O)N=O
InChIInChI=1S/C9H17N3O4/c1-8(14)10-3-5-12(6-7-13)4-2-9(15)11-16/h13H,2-7H2,1H3,(H,10,14)
InChIKeyZPCBRFRRRVJBEO-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.90
Rot. Bonds8

About 3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide

3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide (PubChem CID 142305680) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide.

Molecular Properties

Compound Name3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide
PubChem CID142305680
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide
SMILESCC(=O)NCCN(CCO)CCC(=O)N=O
InChIInChI=1S/C9H17N3O4/c1-8(14)10-3-5-12(6-7-13)4-2-9(15)11-16/h13H,2-7H2,1H3,(H,10,14)
InChIKeyZPCBRFRRRVJBEO-UHFFFAOYSA-N
XLogP-0.90
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide
CID 143571898
sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate
CID 158747467
N-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]acetamide
CID 115633464
2-[2-acetamidoethyl(hydroxymethyl)amino]acetate
CID 20708503
3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid
CID 82328942
N-(2-acetamidoethyl)-3-[[3-(2-acetamidoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-acetamidoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[2-[2-[bis[3-[2-[bis[3-(2-acetamidoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyldisulfanyl]ethyl]amino]propanoylamino]ethyl]amino]propanamide
CID 101243788
3-[3-acetamidopropyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329659
ethyl (Z)-3-[2-[bis(2-hydroxyethyl)amino]ethylamino]but-2-enoate
CID 88725570
3-[3-acetamidopropyl(propyl)amino]propanoic acid
CID 82328102
3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82330169
3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 82330021

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide?
The IUPAC name of 3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide (CID 142305680) is 3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide.
What is the SMILES notation for 3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide?
The canonical SMILES for 3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide is CC(=O)NCCN(CCO)CCC(=O)N=O.
What is the InChIKey of 3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide?
The InChIKey is ZPCBRFRRRVJBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-8(14)10-3-5-12(6-7-13)4-2-9(15)11-16/h13H,2-7H2,1H3,(H,10,14).
What are the key properties of 3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide?
3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide has a molecular weight of 231.25 g/mol, XLogP of -0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide is sourced from PubChem (CID 142305680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).